# generated using pymatgen
data_Li4Ti3Co3(NiO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76459908
_cell_length_b   5.76459908
_cell_length_c   9.64508434
_cell_angle_alpha   89.83543712
_cell_angle_beta   89.83543712
_cell_angle_gamma   60.54368129
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Ti3Co3(NiO8)2
_chemical_formula_sum   'Li4 Ti3 Co3 Ni2 O16'
_cell_volume   279.07811465
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.32606600  0.32606600  0.89023100  1
  Li  Li1  1  0.01386400  0.01386400  0.99600800  1
  Li  Li2  1  0.01091200  0.01091200  0.49917300  1
  Li  Li3  1  0.65911100  0.65911100  0.39681300  1
  Ti  Ti4  1  0.16610700  0.65907300  0.21526100  1
  Ti  Ti5  1  0.65907300  0.16610700  0.21526100  1
  Ti  Ti6  1  0.82774100  0.82774100  0.71460600  1
  Co  Co7  1  0.16923200  0.16923200  0.21296700  1
  Co  Co8  1  0.33627900  0.82935700  0.71367900  1
  Co  Co9  1  0.82935700  0.33627900  0.71367900  1
  Ni  Ni10  1  0.33492900  0.33492900  0.49140600  1
  Ni  Ni11  1  0.66730600  0.66730600  0.98669600  1
  O  O12  1  0.16416600  0.68332400  0.60589200  1
  O  O13  1  0.48008000  0.48008000  0.33214500  1
  O  O14  1  0.33457400  0.33457400  0.10041100  1
  O  O15  1  0.00395700  0.00395700  0.31380800  1
  O  O16  1  0.00310700  0.00310700  0.81139800  1
  O  O17  1  0.68332400  0.16416600  0.60589200  1
  O  O18  1  0.03092300  0.47351300  0.33278200  1
  O  O19  1  0.47351300  0.03092300  0.33278200  1
  O  O20  1  0.84096100  0.84096100  0.10185100  1
  O  O21  1  0.16120300  0.16120300  0.61607500  1
  O  O22  1  0.50892300  0.96140400  0.83226700  1
  O  O23  1  0.96140400  0.50892300  0.83226700  1
  O  O24  1  0.66244000  0.66244000  0.60529000  1
  O  O25  1  0.32266200  0.84996500  0.10876200  1
  O  O26  1  0.51532100  0.51532100  0.82205100  1
  O  O27  1  0.84996500  0.32266200  0.10876200  1
